2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

C8H12N2O3 — CID 103240759

IUPAC2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCO)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-7(12)5-8(10-6)13-4-3-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyYMDPHDAZLFVOGW-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.30
Rot. Bonds4

About 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240759) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240759
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCCO)cc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-7(12)5-8(10-6)13-4-3-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyYMDPHDAZLFVOGW-UHFFFAOYSA-N
XLogP-0.30
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
4-(2-hydroxybutoxy)-2-methyl-1H-pyrimidin-6-one
CID 23525166
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 144538350
2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 178102906
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one (CID 103240759) is 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is CCc1nc(OCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is YMDPHDAZLFVOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-6-9-7(12)5-8(10-6)13-4-3-11/h5,11H,2-4H2,1H3,(H,9,10,12).
What are the key properties of 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).